2-chloro-5,6-dihydro-4H-1,3-thiazine

C4H6ClNS — CID 12592923

IUPAC2-chloro-5,6-dihydro-4H-1,3-thiazine
SMILESClC1=NCCCS1
InChIInChI=1S/C4H6ClNS/c5-4-6-2-1-3-7-4/h1-3H2
InChIKeyHFPSQSREKTUQRX-UHFFFAOYSA-N
MW135.62 g/mol
LogP1.72
Rot. Bonds

About 2-chloro-5,6-dihydro-4H-1,3-thiazine

2-chloro-5,6-dihydro-4H-1,3-thiazine (PubChem CID 12592923) has the molecular formula C4H6ClNS and a molecular weight of 135.62 g/mol. Its IUPAC name is 2-chloro-5,6-dihydro-4H-1,3-thiazine.

Molecular Properties

Compound Name2-chloro-5,6-dihydro-4H-1,3-thiazine
PubChem CID12592923
Molecular FormulaC4H6ClNS
Molecular Weight135.62 g/mol
Exact Mass134.99
IUPAC Name2-chloro-5,6-dihydro-4H-1,3-thiazine
SMILESClC1=NCCCS1
InChIInChI=1S/C4H6ClNS/c5-4-6-2-1-3-7-4/h1-3H2
InChIKeyHFPSQSREKTUQRX-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.62
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5,6-dihydro-4H-1,3-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-dihydro-4H-1,3-thiazine?
The IUPAC name of 2-chloro-5,6-dihydro-4H-1,3-thiazine (CID 12592923) is 2-chloro-5,6-dihydro-4H-1,3-thiazine.
What is the SMILES notation for 2-chloro-5,6-dihydro-4H-1,3-thiazine?
The canonical SMILES for 2-chloro-5,6-dihydro-4H-1,3-thiazine is ClC1=NCCCS1.
What is the InChIKey of 2-chloro-5,6-dihydro-4H-1,3-thiazine?
The InChIKey is HFPSQSREKTUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClNS/c5-4-6-2-1-3-7-4/h1-3H2.
What are the key properties of 2-chloro-5,6-dihydro-4H-1,3-thiazine?
2-chloro-5,6-dihydro-4H-1,3-thiazine has a molecular weight of 135.62 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-dihydro-4H-1,3-thiazine is sourced from PubChem (CID 12592923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).